Compound Detail
CHEMBL1734152
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Basic Information
| ChEMBL ID | CHEMBL1734152 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JGYJREAOLDRIGO-UHFFFAOYSA-N |
4
Targets
6
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
305.8
MW (Da)
2.63
ALogP
4
HBA
0
HBD
46.6
PSA (Ų)
0.80
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 5.29
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.29 | 5.06 | 5068.0 | 2 |
| Glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase CHEMBL1741212 | IC50 | 5.14 | 4.755 | 7190.0 | 2 |
| C-C chemokine receptor type 6 CHEMBL4423 | IC50 | 4.69 | 4.69 | 20600.0 | 1 |
| Glucose-6-phosphate 1-dehydrogenase CHEMBL5347 | IC50 | 4.14 | 4.14 | 72900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 5068.0 | nM | 5.29 | PubChem BioAssay. Fluorescence-based biochemical high throughput screening dose ... | - |
| Glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase | IC50 | = | 7190.0 | nM | 5.14 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS small molecule inhibitors o... | - |
| Unchecked | IC50 | = | 14667.0 | nM | 4.83 | PubChem BioAssay. Counterscreen for inhibitors of Crimean-Congo Hemorrhagic Feve... | - |
| C-C chemokine receptor type 6 | IC50 | = | 20600.0 | nM | 4.69 | PUBCHEM_BIOASSAY: Dose Response confirmation of small molecule antagonists of th... | - |
| Glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase | IC50 | = | 42400.0 | nM | 4.37 | PUBCHEM_BIOASSAY: Dose Response orthogonal kinetic assay utilizing the direct de... | - |
| Glucose-6-phosphate 1-dehydrogenase | IC50 | = | 72900.0 | nM | 4.14 | PUBCHEM_BIOASSAY: Human Glucose-6-Phosphate Dehydrogenase Dose Response Selectiv... | - |
Data from ChEMBL 36 via Core Engine